4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine

C123H98N28O — CID 158067419

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine (PubChem CID 158067419) has the molecular formula C123H98N28O and a molecular weight of 1984.33 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine.

Molecular Properties

• Compound Name: 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine
• PubChem CID: 158067419
• Molecular Formula: C123H98N28O
• Molecular Weight: 1984.33 g/mol
• Exact Mass: 1982.85
• IUPAC Name: 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine
• SMILES: CNC(C)c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.Cc1c(CCCO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.c1ccc(CNc2cccc3c(-c4ccc5[nH]nc(-c6nc7ccccc7[nH]6)c5c4)cncc23)cc1.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5ccc6[nH]ccc6c5)cc34)nc2c1.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6c5CCCN6)cc34)nc2c1
• InChI: InChI=1S/C30H22N6.C26H22N6.C23H21N5O.C22H18N6.C22H15N5/c1-2-7-19(8-3-1)16-32-25-12-6-9-21-23(17-31-18-24(21)25)20-13-14-26-22(15-20)29(36-35-26)30-33-27-10-4-5-11-28(27)34-30;1-15(27-2)18-8-5-9-23-24(18)30-26(29-23)25-20-12-16(10-11-22(20)31-32-25)21-14-28-13-17-6-3-4-7-19(17)21;1-14-16(5-4-10-29)12-24-13-18(14)15-8-9-19-17(11-15)22(28-27-19)23-25-20-6-2-3-7-21(20)26-23;1-2-6-19-18(5-1)25-22(26-19)21-15-10-13(7-8-17(15)27-28-21)16-11-23-12-20-14(16)4-3-9-24-20;1-2-4-20-19(3-1)24-22(25-20)21-16-12-14(6-8-18(16)26-27-21)13-5-7-17-15(11-13)9-10-23-17/h1-15,17-18,32H,16H2,(H,33,34)(H,35,36);3-15,27H,1-2H3,(H,29,30)(H,31,32);2-3,6-9,11-13,29H,4-5,10H2,1H3,(H,25,26)(H,27,28);1-2,5-8,10-12,24H,3-4,9H2,(H,25,26)(H,27,28);1-12,23H,(H,24,25)(H,26,27)
• InChIKey: FLKDBQGEGBSONB-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 410.47 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.33
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine?

The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine (CID 158067419) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine.

What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine?

The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine is CNC(C)c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.Cc1c(CCCO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.c1ccc(CNc2cccc3c(-c4ccc5[nH]nc(-c6nc7ccccc7[nH]6)c5c4)cncc23)cc1.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5ccc6[nH]ccc6c5)cc34)nc2c1.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6c5CCCN6)cc34)nc2c1.

What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine?

The InChIKey is FLKDBQGEGBSONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6.C26H22N6.C23H21N5O.C22H18N6.C22H15N5/c1-2-7-19(8-3-1)16-32-25-12-6-9-21-23(17-31-18-24(21)25)20-13-14-26-22(15-20)29(36-35-26)30-33-27-10-4-5-11-28(27)34-30;1-15(27-2)18-8-5-9-23-24(18)30-26(29-23)25-20-12-16(10-11-22(20)31-32-25)21-14-28-13-17-6-3-4-7-19(17)21;1-14-16(5-4-10-29)12-24-13-18(14)15-8-9-19-17(11-15)22(28-27-19)23-25-20-6-2-3-7-21(20)26-23;1-2-6-19-18(5-1)25-22(26-19)21-15-10-13(7-8-17(15)27-28-21)16-11-23-12-20-14(16)4-3-9-24-20;1-2-4-20-19(3-1)24-22(25-20)21-16-12-14(6-8-18(16)26-27-21)13-5-7-17-15(11-13)9-10-23-17/h1-15,17-18,32H,16H2,(H,33,34)(H,35,36);3-15,27H,1-2H3,(H,29,30)(H,31,32);2-3,6-9,11-13,29H,4-5,10H2,1H3,(H,25,26)(H,27,28);1-2,5-8,10-12,24H,3-4,9H2,(H,25,26)(H,27,28);1-12,23H,(H,24,25)(H,26,27).

What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine?

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine has a molecular weight of 1984.33 g/mol, XLogP of 26.72, 18 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 158067419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).